N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide

C16H17NOS — CID 107029231

IUPACN-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc(S)cc1
InChIInChI=1S/C16H17NOS/c1-12(11-13-5-3-2-4-6-13)17-16(18)14-7-9-15(19)10-8-14/h2-10,12,19H,11H2,1H3,(H,17,18)
InChIKeyDTFGMTCWYYSDOX-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.34
Rot. Bonds4

About N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide

N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide (PubChem CID 107029231) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
PubChem CID107029231
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc(S)cc1
InChIInChI=1S/C16H17NOS/c1-12(11-13-5-3-2-4-6-13)17-16(18)14-7-9-15(19)10-8-14/h2-10,12,19H,11H2,1H3,(H,17,18)
InChIKeyDTFGMTCWYYSDOX-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
2-chloro-N-(1-phenylpropan-2-yl)-5-sulfanylbenzamide
CID 107029219
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide
CID 3027107
4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63213334
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
4-[(dipropylamino)methyl]-N-(1-phenylpropan-2-yl)benzamide;hydrochloride
CID 3027106
4-[(dibutylamino)methyl]-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 129361894
N-(4-amino-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 107035767
N-(6-methylheptan-2-yl)-4-sulfanylbenzamide
CID 107025136
3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 14747473
5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
CID 79692781
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide?
The IUPAC name of N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide (CID 107029231) is N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide is CC(Cc1ccccc1)NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide?
The InChIKey is DTFGMTCWYYSDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12(11-13-5-3-2-4-6-13)17-16(18)14-7-9-15(19)10-8-14/h2-10,12,19H,11H2,1H3,(H,17,18).
What are the key properties of N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide?
N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide has a molecular weight of 271.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide is sourced from PubChem (CID 107029231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).